N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine

C15H13F2N — CID 101453928

IUPACN-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine
SMILESCc1c(F)ccc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H13F2N/c1-11-13(15(17)8-7-14(11)16)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+
InChIKeyPGMCGZJIKGDHPP-VCHYOVAHSA-N
MW245.27 g/mol
LogP3.89
Rot. Bonds3

About N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine

N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine (PubChem CID 101453928) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine
PubChem CID101453928
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC NameN-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine
SMILESCc1c(F)ccc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H13F2N/c1-11-13(15(17)8-7-14(11)16)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+
InChIKeyPGMCGZJIKGDHPP-VCHYOVAHSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
(3',5'-Difluoro-[1,1'-biphenyl]-2-YL)methanamine
CID 61025940
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
5H-Dibenz(c,e)azepine
CID 6451520
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
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1H-isoindole
CID 597959
N-benzyl-1-[2-(trifluoromethyl)phenyl]methanimine oxide
CID 177614010

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine?
The IUPAC name of N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine (CID 101453928) is N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine is Cc1c(F)ccc(F)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine?
The InChIKey is PGMCGZJIKGDHPP-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H13F2N/c1-11-13(15(17)8-7-14(11)16)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+.
What are the key properties of N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine?
N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine has a molecular weight of 245.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine is sourced from PubChem (CID 101453928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).